Chemical Properties of Beclomethasone (CAS 4419-39-0)

InChI

InChI=1S/C22H29ClO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3

InChI Key

NBMKJKDGKREAPL-UHFFFAOYSA-N

Formula

C22H29ClO5

SMILES

CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(Cl)C(O)CC2(C)C1(O)C(=O)CO

Molecular Weight¹

408.92

CAS

4419-39-0

Other Names

• Pregna-1,4-diene-3,20-dione, 9-chloro-11,17,21-trihydroxy-16-methyl-, (11«beta»,16«beta»)-
• 9-Chloro-11«beta»,17,21-trihydroxy-16«beta»-methyl-pregna-1,4-diene-3,20-dione
• 9«alpha»-Chloro-16«beta»-methylprednisolone
• Beclometasone

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1317.36; 1824.13]	J/mol×K	[1172.31; 1436.12]
Cp,gas	1317.36	J/mol×K	1172.31	Joback Calculated Property
Cp,gas	1380.91	J/mol×K	1216.28	Joback Calculated Property
Cp,gas	1451.82	J/mol×K	1260.25	Joback Calculated Property
Cp,gas	1530.84	J/mol×K	1304.21	Joback Calculated Property
Cp,gas	1618.73	J/mol×K	1348.18	Joback Calculated Property
Cp,gas	1716.24	J/mol×K	1392.15	Joback Calculated Property
Cp,gas	1824.13	J/mol×K	1436.12	Joback Calculated Property

Similar Compounds

Find more compounds similar to Beclomethasone.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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